4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid

C15H25NO3 — CID 22185349

IUPAC4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid
SMILESO=CCCC1(C2CCCCC2)CCN(C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c17-12-4-7-15(13-5-2-1-3-6-13)8-10-16(11-9-15)14(18)19/h12-13H,1-11H2,(H,18,19)
InChIKeyIYAANYWWDFQKIY-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.31
Rot. Bonds4

About 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid

4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid (PubChem CID 22185349) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid
PubChem CID22185349
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid
SMILESO=CCCC1(C2CCCCC2)CCN(C(=O)O)CC1
InChIInChI=1S/C15H25NO3/c17-12-4-7-15(13-5-2-1-3-6-13)8-10-16(11-9-15)14(18)19/h12-13H,1-11H2,(H,18,19)
InChIKeyIYAANYWWDFQKIY-UHFFFAOYSA-N
XLogP3.31
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 22185326
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CID 22258792
CID 22280885
CID 22280885
CID 66701100
CID 66701100
CID 66988173
CID 66988173
CID 87195485
CID 87195485
CID 87201609
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CID 87207537
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CID 87528399
CID 87528399

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid?
The IUPAC name of 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid (CID 22185349) is 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid is O=CCCC1(C2CCCCC2)CCN(C(=O)O)CC1.
What is the InChIKey of 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid?
The InChIKey is IYAANYWWDFQKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c17-12-4-7-15(13-5-2-1-3-6-13)8-10-16(11-9-15)14(18)19/h12-13H,1-11H2,(H,18,19).
What are the key properties of 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid?
4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid has a molecular weight of 267.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-4-(3-oxopropyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 22185349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).